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[abinit-forum] Requesting for Phonon band structure of MgH2


Chronological Thread 
  • From: kondaiah samudrala <konda.physics@gmail.com>
  • To: forum <forum@abinit.org>
  • Subject: [abinit-forum] Requesting for Phonon band structure of MgH2
  • Date: Wed, 28 Apr 2010 12:37:32 +0530
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Dear all,

         I am new to run Abinit,i am tryng to calculate phono band structures for different materials usin different lattice vectors. here i am facing the problem of ANADDB  i/p file. for every every lattice i am facing same problem,here i pasted that

Informations are missing in the DDB.
  In blok     1 the following element is missing :
  idir1,ipert1,idir2,ipert2=   1   3   1   3
  Action : add the required information in the DDB,
  or modify your input file.

and i attched my all i/p files.please give suggition to solve this problem


with regards
S.Appalakondaiah


Attachment: MgH2.tar.gz
Description: GNU Zip compressed data



  • [abinit-forum] Requesting for Phonon band structure of MgH2, kondaiah samudrala, 04/28/2010

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